(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C18H21N3O2 — CID 95876805

IUPAC(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(N2CCC[C@]3(CN(C)C(=O)O3)C2)c2ccccc2n1
InChIInChI=1S/C18H21N3O2/c1-13-10-16(14-6-3-4-7-15(14)19-13)21-9-5-8-18(12-21)11-20(2)17(22)23-18/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3/t18-/m0/s1
InChIKeyUZTTYBHWORXMFO-SFHVURJKSA-N
MW311.38 g/mol
LogP2.96
Rot. Bonds1

About (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95876805) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95876805
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(N2CCC[C@]3(CN(C)C(=O)O3)C2)c2ccccc2n1
InChIInChI=1S/C18H21N3O2/c1-13-10-16(14-6-3-4-7-15(14)19-13)21-9-5-8-18(12-21)11-20(2)17(22)23-18/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3/t18-/m0/s1
InChIKeyUZTTYBHWORXMFO-SFHVURJKSA-N
XLogP2.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95876805) is (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1cc(N2CCC[C@]3(CN(C)C(=O)O3)C2)c2ccccc2n1.
What is the InChIKey of (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is UZTTYBHWORXMFO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-10-16(14-6-3-4-7-15(14)19-13)21-9-5-8-18(12-21)11-20(2)17(22)23-18/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95876805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).